N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide

C21H23FN4O3S — CID 55860572

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(Cn3nc(-c4cccs4)oc3=O)CC2)cc1F
InChIInChI=1S/C21H23FN4O3S/c1-14-4-5-15(11-17(14)22)12-23-19(27)16-6-8-25(9-7-16)13-26-21(28)29-20(24-26)18-3-2-10-30-18/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,23,27)
InChIKeyQEVYWBOLIKYMGC-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.00
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 55860572) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID55860572
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(Cn3nc(-c4cccs4)oc3=O)CC2)cc1F
InChIInChI=1S/C21H23FN4O3S/c1-14-4-5-15(11-17(14)22)12-23-19(27)16-6-8-25(9-7-16)13-26-21(28)29-20(24-26)18-3-2-10-30-18/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,23,27)
InChIKeyQEVYWBOLIKYMGC-UHFFFAOYSA-N
XLogP3.00
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 30778648
N-benzyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide
CID 30777028
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 60503977
N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 35951851
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
N-methyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide
CID 43064107
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-hydroxypentyl)piperidine-4-carboxamide
CID 110923817
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641
N-[(3-fluoro-4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133317132
3-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 55464559
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
2-(2-methylphenyl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 16672334

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide (CID 55860572) is N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(Cn3nc(-c4cccs4)oc3=O)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QEVYWBOLIKYMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-14-4-5-15(11-17(14)22)12-23-19(27)16-6-8-25(9-7-16)13-26-21(28)29-20(24-26)18-3-2-10-30-18/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,23,27).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55860572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).